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22892-95-1

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CAS No.: 22892-95-1
Name: 4-CHLORO-3-CHLOROSULFONYL-5-NITROBENZOIC ACID
Article Data: 7
Molecular Structure:
Molecular Structure of 22892-95-1 (4-CHLORO-3-CHLOROSULFONYL-5-NITROBENZOIC ACID)
Formula: C7H3Cl2NO6S
Molecular Weight: 300.076
Synonyms: 4-Chloro-3-(chlorosulfonyl)-5-nitrobenzoic acid;Benzoic acid,4-chloro-3-(chlorosulfonyl)-5-nitro-;
EINECS: 245-309-3
Density: 1.848 g/cm3
Melting Point: 193-194 °C (decomp)
Boiling Point: 495.008 °C at 760 mmHg
Flash Point: 253.172 °C
PSA: 125.64000
LogP: 3.47790
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Chemistry


IUPAC Name: 4-Chloro-3-chlorosulfonyl-5-nitrobenzoic acid 
Empirical Formula: C7H3Cl2NO6S
Molecular Weight: 300.0728
Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])Cl)S(=O)(=O)Cl)C(=O)O
InChI: InChI=1S/C7H3Cl2NO6S/c8-6-4(10(13)14)1-3(7(11)12)2-5(6)17(9,15)16/h1-2H,(H,11,12)
InChIKey: AFRAGFLBINOHDV-UHFFFAOYSA-N
EINECS: 245-309-3 
XLogP3-AA: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 6
Index of Refraction: 1.626
Molar Refractivity: 57.53 cm3
Molar Volume: 162.4 cm3
Surface Tension: 74.3 dyne/cm
Density: 1.847 g/cm3
Flash Point: 253.2 °C
Enthalpy of Vaporization: 80.3 kJ/mol
Boiling Point: 495 °C at 760 mmHg
Vapour Pressure of 4-Chloro-5-chlorosulphonyl-3-nitrobenzoic acid (CAS NO.22892-95-1): 1.29E-10 mmHg at 25 °C

Specification

  4-Chloro-5-chlorosulphonyl-3-nitrobenzoic acid (CAS NO.22892-95-1), its Synonyms are 4-Chloro-3-(chlorosulfonyl)-5-nitrobenzoic acid ; Benzoic acid, 4-chloro-3-(chlorosulfonyl)-5-nitro- .